Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8993959

CCCCCCCCCCCCCCCCCCC1=NCCN1CCNC(=O)CCCCCCCCCCCCCCC.Cl

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRD1 known ✓ P41143 1/20 0.39
DNM1 Q05193 2/20 0.45
FAAH O00519 4/20 0.43
HSD17B10 Q99714 1/20 0.40
CASP2 P42575 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC6A5 Q9Y345 1/20 0.39
GNAI3 P08754 1/20 0.39
GNAO1 P09471 1/20 0.39
GNAI1 P63096 1/20 0.39
NAAA Q02083 1/20 0.38
PLD1 Q13393 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9325993 0.99 DNM1 (0.46) DNM1FAAHHSD17B10CASP2TRPV1
SCHEMBL9244113 0.99 DNM1 (0.46) DNM1FAAHHSD17B10CASP2TRPV1
SCHEMBL9647844 0.99 DNM1 (0.46) DNM1FAAHHSD17B10CASP2TRPV1
SCHEMBL9240518 0.99 DNM1 (0.46) DNM1FAAHHSD17B10CASP2TRPV1
SCHEMBL9245043 0.99 DNM1 (0.46) DNM1FAAHHSD17B10CASP2TRPV1
SCHEMBL9325210 0.99 DNM1 (0.46) DNM1FAAHHSD17B10CASP2TRPV1
SCHEMBL9324205 0.99 DNM1 (0.46) DNM1FAAHHSD17B10CASP2TRPV1
Hydrochloric Acid SCHEMBL6627114 0.93 SLC6A5 (0.50) HSD17B10TRPV1MEN1MAPTKMT2A
SCHEMBL9240571 0.93 DNM1 (0.47) DNM1FAAHHSD17B10CASP2TRPV1
SCHEMBL6241481 0.93 DNM1 (0.47) DNM1FAAHHSD17B10CASP2TRPV1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0724624-A1 FABRIC CONDITIONER COMPOSITION UNILEVER PLC (GB) 1996-08-07 EP disclosed
EP-0681604-A1 FABRIC SOFTENER COMPOSITION. UNILEVER PLC (GB) 1995-11-15 EP disclosed
WO-1995011292-A1 FABRIC CONDITIONER COMPOSITION UNILEVER PLC (GB) 1995-04-27 WO disclosed
WO-1994017169-A1 FABRIC SOFTENER COMPOSITION UNILEVER PLC (GB) 1994-08-04 WO disclosed
EP-0408279-A2 Fabric softening composition UNILEVER PLC (GB) 1991-01-16 EP disclosed
EP-0371534-A2 Fabric treatment composition UNILEVER N.V. (NL) 1990-06-06 EP disclosed
US-4851141-A HEXYLENE GLYCOL CARRIER LIQUID; QUATERNARY AMMONIUM, IMIDALIUM, OR PYRIMIDINIUM COMPOUNDS COLGATE-PALMOLIVE COMPANY (US) 1989-07-25 US disclosed